Task 38679442

Name test_291-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND9472_0
Workunit 31621217
Created 26 Oct 2026, 20:35:56 UTC
Sent 26 Oct 2026, 20:36:06 UTC
Report deadline 31 Oct 2026, 20:36:06 UTC
Received 26 Oct 2026, 21:02:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630626
Run time 23 min 43 sec
CPU time 21 min 4 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 40,323.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 725.53 MB
Peak swap size 5.45 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:37:36 (30120): wrapper (7.9.26016): starting
16:37:36 (30120): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
16:37:37 (30120): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:37:37 (30120): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\12\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\12\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
17:02:29 (30120): C:/Windows/system32/cmd.exe exited; CPU time 1264.390625
17:02:29 (30120): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 34123595 bytes.
Dumping objects ->
{3835576} normal block at 0x0000023D03D2DB20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835565} normal block at 0x0000023D03D2DB90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835554} normal block at 0x0000023D021153C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835543} normal block at 0x0000023D02115890, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835532} normal block at 0x0000023D021154A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835501} normal block at 0x0000023D03D77640, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835488} normal block at 0x0000023D0210E5F0, 8 bytes long.
 Data: <  I =   > 00 00 49 02 3D 02 00 00 
{3833961} normal block at 0x0000023D0210D8D0, 8 bytes long.
 Data: <&#192;C&#221; =   > C0 43 DD 03 3D 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000023D02111E00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000023D02106BA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000023D02116540, 16 bytes long.
 Data: <&#248;p  =           > F8 70 11 02 3D 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000023D02116B80, 16 bytes long.
 Data: <&#208;p  =           > D0 70 11 02 3D 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000023D02110130, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000023D021164A0, 16 bytes long.
 Data: <&#168;p  =           > A8 70 11 02 3D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023D02116A40, 16 bytes long.
 Data: < p  =           > 80 70 11 02 3D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023D021169F0, 16 bytes long.
 Data: <Xp  =           > 58 70 11 02 3D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000023D021164F0, 16 bytes long.
 Data: <0p  =           > 30 70 11 02 3D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023D02115430, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000023D02116090, 16 bytes long.
 Data: <&#184;&#247;  =           > B8 F7 0F 02 3D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023D0210FF50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000023D02116AE0, 16 bytes long.
 Data: < &#247;  =           > 90 F7 0F 02 3D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023D02116040, 16 bytes long.
 Data: <h&#247;  =           > 68 F7 0F 02 3D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023D02116220, 16 bytes long.
 Data: <@&#247;  =           > 40 F7 0F 02 3D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023D02116180, 16 bytes long.
 Data: < &#247;  =           > 18 F7 0F 02 3D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023D02115FF0, 16 bytes long.
 Data: <&#240;&#246;  =           > F0 F6 0F 02 3D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023D02115F50, 16 bytes long.
 Data: <&#200;&#246;  =           > C8 F6 0F 02 3D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023D0210FD10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000023D02116720, 16 bytes long.
 Data: <&#160;&#246;  =           > A0 F6 0F 02 3D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023D020FF6A0, 320 bytes long.
 Data: < g  =    &#253;  =   > 20 67 11 02 3D 02 00 00 10 FD 10 02 3D 02 00 00 
{276} normal block at 0x0000023D021168B0, 16 bytes long.
 Data: < p  =           > 10 70 11 02 3D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023D02116D60, 16 bytes long.
 Data: <&#232;o  =           > E8 6F 11 02 3D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023D0210FCB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000023D02115E10, 16 bytes long.
 Data: <&#192;o  =           > C0 6F 11 02 3D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023D0210FEF0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000023D02116BD0, 16 bytes long.
 Data: < o  =           > 08 6F 11 02 3D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023D02115FA0, 16 bytes long.
 Data: <&#224;n  =           > E0 6E 11 02 3D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023D021167C0, 16 bytes long.
 Data: <&#184;n  =           > B8 6E 11 02 3D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023D02116CC0, 16 bytes long.
 Data: < n  =           > 90 6E 11 02 3D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023D02116590, 16 bytes long.
 Data: <hn  =           > 68 6E 11 02 3D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023D02115EB0, 16 bytes long.
 Data: <@n  =           > 40 6E 11 02 3D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023D02116C70, 16 bytes long.
 Data: <&#176;W  =           > B0 57 11 02 3D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000023D021157B0, 40 bytes long.
 Data: <pl  =   @v&#215; =   > 70 6C 11 02 3D 02 00 00 40 76 D7 03 3D 02 00 00 
{262} normal block at 0x0000023D02116C20, 16 bytes long.
 Data: < n  =           > 20 6E 11 02 3D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023D02115F00, 16 bytes long.
 Data: <&#248;m  =           > F8 6D 11 02 3D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000023D02110610, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000023D02116860, 16 bytes long.
 Data: <&#208;m  =           > D0 6D 11 02 3D 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000023D02116DD0, 992 bytes long.
 Data: <`h  =       =   > 60 68 11 02 3D 02 00 00 10 06 11 02 3D 02 00 00 
{94} normal block at 0x0000023D0210FFB0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000023D0210DD30, 16 bytes long.
 Data: <&#160;&#243;  =           > A0 F3 0F 02 3D 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000023D020FF3A0, 40 bytes long.
 Data: <0&#221;  =   &#176;&#255;  =   > 30 DD 10 02 3D 02 00 00 B0 FF 10 02 3D 02 00 00 
{71} normal block at 0x0000023D0210E320, 16 bytes long.
 Data: < &#234;X2&#247;           > 80 EA 58 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000023D0210DCE0, 16 bytes long.
 Data: <@&#233;X2&#247;           > 40 E9 58 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000023D0210E190, 16 bytes long.
 Data: <&#248;WU2&#247;           > F8 57 55 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000023D0210DC90, 16 bytes long.
 Data: <&#216;WU2&#247;           > D8 57 55 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000023D0210D9C0, 16 bytes long.
 Data: <P U2&#247;           > 50 04 55 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023D0210DA10, 16 bytes long.
 Data: <0 U2&#247;           > 30 04 55 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023D0210D970, 16 bytes long.
 Data: <&#224; U2&#247;           > E0 02 55 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023D0210E2D0, 16 bytes long.
 Data: <  U2&#247;           > 10 04 55 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000023D0210E690, 16 bytes long.
 Data: <p U2&#247;           > 70 04 55 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000023D0210DC40, 16 bytes long.
 Data: < &#192;S2&#247;           > 18 C0 53 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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